pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	AttenGpKa training set	2	1	[NH3+]CC[C@H]1C=[NH+]c2ccc(O)cc21	NCC[C@H]1C=[NH+]c2ccc(O)cc21,[NH3+]CC[C@H]1C=Nc2ccc(O)cc21	mol26458	NCCC1C=Nc2ccc(O)cc21